CAS RN: 384833-20-9

1-palMitoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine (sodiuM salt)

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  • Product code: starshine_CAS384833-20-9
  • Purity/Analytical Methods: >99.0%
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384833-20-9 / sodium (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoate

Standard CAS: 384833-20-9 Multi CAS: Yes

Basic Information

CAS
384833-20-9
Multi CAS
Yes
Molecular Formula
C40H73NNAO10P
Molecular Weight
782.000000
Exact Mass
781.486979
InChI
InChI=1S/C40H74NO10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(43)51-36(34-49-52(46,47)50-35-37(41)40(44)45)33-48-38(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,36-37H,3-10,12,14-16,19-35,41H2,1-2H3,(H,44,45)(H,46,47);/q;+1/p-1/b13-11-,18-17-;/t36-,37+;/m1./s1
InChIKey
WPLLCKLCLMRAPV-WHVRKWPVSA-M

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.82
Rotatable bonds
38
H-bond acceptors
10
H-bond donors
2
Molar refractivity
205.22
TPSA
174.51

LogP / Solubility

WLOGP
5.95
MLOGP
5.31
XLogP3
5.95
Consensus LogP
5.74
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-10.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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